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89683-72-7 | Cyclopentanecarbonitrile, 3-(1-methylethylidene)-
CAS No: 89683-72-7 Catalog No: AG0044HR MDL No:
Product Description
Catalog Number:
AG0044HR
Chemical Name:
Cyclopentanecarbonitrile, 3-(1-methylethylidene)-
CAS Number:
89683-72-7
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
IUPAC Name:
3-propan-2-ylidenecyclopentane-1-carbonitrile
InChI:
InChI=1S/C9H13N/c1-7(2)9-4-3-8(5-9)6-10/h8H,3-5H2,1-2H3
InChI Key:
SZIUIOJLCALYSZ-UHFFFAOYSA-N
SMILES:
N#CC1CCC(=C(C)C)C1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.105g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.21g/mol
Monoisotopic Mass:
135.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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